Molecular Properties | |
SMILES: | CC#Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NCCc2cccc(F)c2)c2cccnc2)c1 |
MW: | 481.18 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 4.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
triple bond
Long aliphatic chain
PAU-WEI-ca14c437-1
PAU-WEI-ca14c437-1
0.811
ALP-POS-02c6a514-39
0.690
ALP-POS-b0bc6a46-24
0.690
ALF-EVA-719172df-6
0.684
ALP-POS-b0bc6a46-23
0.677
ALP-POS-02c6a514-38
0.677
MAT-POS-f2460aef-1
0.670
LON-WEI-2e27a2e5-1
0.670
MAT-POS-f2460aef-2
0.670
ALP-POS-02c6a514-37
0.663
ALP-POS-b0bc6a46-22
0.663
ALP-POS-b0bc6a46-6
0.657
ALP-POS-02c6a514-7
0.657
ALP-POS-b0bc6a46-11
0.657
ALP-POS-02c6a514-18
0.657
PET-UNK-48ab5cd7-5
0.654
ALP-POS-b0bc6a46-18
0.642
ALP-POS-02c6a514-29
0.642
PET-UNK-48ab5cd7-6
0.642
MIC-UNK-8686cf1d-2
0.639
ALP-POS-02c6a514-20
0.629
ALP-POS-b0bc6a46-12
0.629
MIC-UNK-8686cf1d-6
0.627
ALP-POS-b0bc6a46-13
0.623
ALP-POS-02c6a514-21
0.623
ALP-POS-02c6a514-14
0.623
ALP-POS-b0bc6a46-8
0.623
ALP-POS-b0bc6a46-5
0.620
ALP-POS-02c6a514-5
0.620
KHR-WEI-75c61062-1
0.612
ALP-POS-b0bc6a46-25
0.611
ALP-POS-02c6a514-41
0.611
RYA-UNI-f4a878f6-1
0.610
KHR-WEI-75c61062-2
0.602
PET-UNK-48ab5cd7-4
0.598
ALP-POS-b0bc6a46-27
0.587
ALP-POS-02c6a514-43
0.587
RYA-UNI-c3f66fb2-1
0.577
MIC-UNK-96659df2-7
0.575
ALP-POS-02c6a514-23
0.574
ALP-POS-b0bc6a46-14
0.574
ALP-POS-02c6a514-3
0.565
ALP-POS-b0bc6a46-3
0.565
MIC-UNK-96659df2-8
0.564
ALP-POS-b0bc6a46-2
0.562
ALP-POS-02c6a514-2
0.562
MIC-UNK-96659df2-6
0.559
MIC-UNK-8686cf1d-9
0.556
ALP-POS-b0bc6a46-17
0.551
ALP-POS-02c6a514-28
0.551
ALP-POS-02c6a514-12
0.550
MIC-UNK-96659df2-5
0.550
ALP-POS-02c6a514-27
0.549
ALP-POS-b0bc6a46-16
0.549
ALP-POS-e980f4ea-59
0.548
ALP-POS-b0bc6a46-4
0.544
ALP-POS-02c6a514-4
0.544
PAU-WEI-5b8d5051-2
0.542
ALP-POS-b0bc6a46-9
0.540
ALP-POS-02c6a514-15
0.540
BRU-THA-92256091-79
0.538
ALP-POS-ced8ea4d-59
0.538
LON-WEI-babf2c61-9
0.537
ALP-POS-305f6ec3-49
0.536
ALP-POS-b0bc6a46-21
0.535
ALP-POS-02c6a514-36
0.535
ALP-POS-95f71980-21
0.532
ALP-POS-02c6a514-11
0.528
ALP-POS-e980f4ea-28
0.528
LON-POS-586a7c45-1
0.528
PAU-WEI-5b8d5051-1
0.528
LON-WEI-adc59df6-47
0.528
ALP-POS-ced8ea4d-28
0.527
MAT-POS-f2460aef-4
0.527
ALP-POS-02c6a514-8
0.526
ALP-POS-b0bc6a46-7
0.526
ALP-POS-02c6a514-24
0.526
ALP-POS-b0bc6a46-15
0.526
ALP-POS-95f71980-4
0.523
ALP-POS-02c6a514-33
0.522
ALP-POS-1245c3fa-2
0.522
ALP-POS-95f71980-6
0.522
LON-WEI-2e27a2e5-2
0.519
ALP-POS-02c6a514-26
0.518
BRU-THA-92256091-8
0.518
PET-UNK-48ab5cd7-3
0.518
LON-WEI-babf2c61-10
0.514
DAR-DIA-48c639f7-17
0.513
ALP-UNI-fe744232-3
0.513
ALP-POS-ced8ea4d-67
0.513
ALP-POS-95f71980-37
0.513
ALP-POS-02c6a514-30
0.512
ALP-POS-b0bc6a46-19
0.512
JOE-NOR-4e4adc6b-1
0.509
ALP-POS-e980f4ea-67
0.509
ALP-POS-e980f4ea-62
0.509
ALP-POS-305f6ec3-19
0.509
MIC-UNK-8686cf1d-3
0.508
ALP-POS-02c6a514-35
0.508
ALP-POS-b0bc6a46-20
0.508